N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide

C9H8ClFN2O — CID 115668746

IUPACN-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
SMILESC=C(Cl)CNC(=O)c1ccc(F)nc1
InChIInChI=1S/C9H8ClFN2O/c1-6(10)4-13-9(14)7-2-3-8(11)12-5-7/h2-3,5H,1,4H2,(H,13,14)
InChIKeyULMHUAJNDPPJBU-UHFFFAOYSA-N
MW214.63 g/mol
LogP1.70
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide

N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide (PubChem CID 115668746) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
PubChem CID115668746
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC NameN-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
SMILESC=C(Cl)CNC(=O)c1ccc(F)nc1
InChIInChI=1S/C9H8ClFN2O/c1-6(10)4-13-9(14)7-2-3-8(11)12-5-7/h2-3,5H,1,4H2,(H,13,14)
InChIKeyULMHUAJNDPPJBU-UHFFFAOYSA-N
XLogP1.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide
CID 112696045
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63978782
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide
CID 103855656
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide
CID 115636455
3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide
CID 115739741
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
CID 115627193
6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63978404
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide (CID 115668746) is N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide is C=C(Cl)CNC(=O)c1ccc(F)nc1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is ULMHUAJNDPPJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O/c1-6(10)4-13-9(14)7-2-3-8(11)12-5-7/h2-3,5H,1,4H2,(H,13,14).
What are the key properties of N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide?
N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 214.63 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 115668746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).